1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]azetidin-3-ol

C38H32N6O — CID 90401096

IUPAC1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]azetidin-3-ol
SMILESCn1cc(-c2ccc3c(c2)c(-c2ccnc(N4CC(O)C4)c2)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C38H32N6O/c1-42-24-29(23-40-42)27-17-18-35-34(21-27)37(28-19-20-39-36(22-28)43-25-33(45)26-43)41-44(35)38(30-11-5-2-6-12-30,31-13-7-3-8-14-31)32-15-9-4-10-16-32/h2-24,33,45H,25-26H2,1H3
InChIKeyDLYSPGVRAAYLNZ-UHFFFAOYSA-N
MW588.72 g/mol
LogP6.52
Rot. Bonds7

About 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]azetidin-3-ol

1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]azetidin-3-ol (PubChem CID 90401096) has the molecular formula C38H32N6O and a molecular weight of 588.72 g/mol. Its IUPAC name is 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]azetidin-3-ol
PubChem CID90401096
Molecular FormulaC38H32N6O
Molecular Weight588.72 g/mol
Exact Mass588.26
IUPAC Name1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]azetidin-3-ol
SMILESCn1cc(-c2ccc3c(c2)c(-c2ccnc(N4CC(O)C4)c2)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C38H32N6O/c1-42-24-29(23-40-42)27-17-18-35-34(21-27)37(28-19-20-39-36(22-28)43-25-33(45)26-43)41-44(35)38(30-11-5-2-6-12-30,31-13-7-3-8-14-31)32-15-9-4-10-16-32/h2-24,33,45H,25-26H2,1H3
InChIKeyDLYSPGVRAAYLNZ-UHFFFAOYSA-N
XLogP6.52
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.72
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]azetidin-3-ol with MolForge

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Related Compounds

1-[(3-Methyl-1-{2-[(1,2,3-Trimethyl-1h-Indol-5-Yl)amino]pyrimidin-4-Yl}-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol
CID 71698379
1-[(3-Methyl-1-{2-[(1-Methyl-1h-Indazol-5-Yl)amino]pyrimidin-4-Yl}-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol
CID 71698642
4-(4-(5-(1-Methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)pyridin-2-yl)morpholine
CID 90401078
1-((3-methyl-1-(2-(1-methyl-1H-indol-5-ylamino)pyrimidin-4-yl)-1H-pyrazol-4-yl)methyl)azetidin-3-ol
CID 71698375
1-[[3-Cyclopropyl-1-[2-[(1-ethylindol-5-yl)amino]pyrimidin-4-yl]pyrazol-4-yl]methyl]azetidin-3-ol
CID 89845254
1-[[1-[2-[(1-Ethylindol-5-yl)amino]pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl]azetidin-3-ol
CID 89846362
US10954240, Example 47
CID 118930313
1-[6-[6-[1-(2,2,2-Trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridin-1-yl]pyridin-2-yl]azetidin-3-ol
CID 72714761
Pyrazolo pyrimidine, 5s
CID 44520823
4-[1-(1-Benzylpiperidin-4-yl)-6-(1-methylindol-7-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 45483330
2-[4-[3-(Quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 86566702
1-[[1-[4-[(2-Ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]pyrazol-4-yl]methyl]azetidin-3-ol
CID 68378990

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]azetidin-3-ol?
The IUPAC name of 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]azetidin-3-ol (CID 90401096) is 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]azetidin-3-ol.
What is the SMILES notation for 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]azetidin-3-ol?
The canonical SMILES for 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]azetidin-3-ol is Cn1cc(-c2ccc3c(c2)c(-c2ccnc(N4CC(O)C4)c2)nn3C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]azetidin-3-ol?
The InChIKey is DLYSPGVRAAYLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N6O/c1-42-24-29(23-40-42)27-17-18-35-34(21-27)37(28-19-20-39-36(22-28)43-25-33(45)26-43)41-44(35)38(30-11-5-2-6-12-30,31-13-7-3-8-14-31)32-15-9-4-10-16-32/h2-24,33,45H,25-26H2,1H3.
What are the key properties of 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]azetidin-3-ol?
1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]azetidin-3-ol has a molecular weight of 588.72 g/mol, XLogP of 6.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]-2-pyridinyl]azetidin-3-ol is sourced from PubChem (CID 90401096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).